2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide

C11H12N2O3 — CID 116995057

IUPAC2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
SMILESCC1Oc2cc(C(N)=O)ccc2N(C)C1=O
InChIInChI=1S/C11H12N2O3/c1-6-11(15)13(2)8-4-3-7(10(12)14)5-9(8)16-6/h3-6H,1-2H3,(H2,12,14)
InChIKeyMRGUYLJPJDJTLH-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.53
Rot. Bonds1

About 2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide

2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide (PubChem CID 116995057) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
PubChem CID116995057
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
SMILESCC1Oc2cc(C(N)=O)ccc2N(C)C1=O
InChIInChI=1S/C11H12N2O3/c1-6-11(15)13(2)8-4-3-7(10(12)14)5-9(8)16-6/h3-6H,1-2H3,(H2,12,14)
InChIKeyMRGUYLJPJDJTLH-UHFFFAOYSA-N
XLogP0.53
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carbonyl)piperidine-4-carboxamide
CID 110682939
2,4-dimethyl-7-(2-phenylprop-2-enoyl)-1,4-benzoxazin-3-one
CID 3077708
2,4-dimethyl-7-(2-methylidenepentanoyl)-1,4-benzoxazin-3-one
CID 3077707
2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110682955
7-iodo-2,4-dimethyl-1,4-benzoxazin-3-one
CID 79788265
(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylic acid
CID 30772175
2,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110683008
N-benzyl-N-ethyl-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110682928
N-(2,3-dimethylphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110682965
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110683000
6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one
CID 44714874
4-(2-amino-2-oxoethyl)-2-methyl-3-oxo-1,4-benzoxazine-7-carboxylic acid
CID 82057830

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide?
The IUPAC name of 2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide (CID 116995057) is 2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for 2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for 2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide is CC1Oc2cc(C(N)=O)ccc2N(C)C1=O.
What is the InChIKey of 2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide?
The InChIKey is MRGUYLJPJDJTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-6-11(15)13(2)8-4-3-7(10(12)14)5-9(8)16-6/h3-6H,1-2H3,(H2,12,14).
What are the key properties of 2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide?
2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide has a molecular weight of 220.23 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 116995057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).